Estimation of Gas Properties from the Lennard-Jones Potential

Calculation of gas transport properties (viscosity, diffusion, thermal conductivity) using Chapman-Enskok theory (Chapman 1918, ) and of the second virial coefficient (Vargas et al. 2001, ) using the Lennard-Jones (12-6) potential. Up to the third order correction is taken into account for viscosity and thermal conductivity. It is also possible to calculate the binary diffusion coefficients of polar and non-polar gases in non-polar bath gases (Brown et al. 2011, ). 16 collision integrals are calculated with four digit accuracy over the reduced temperature range [0.3, 400] using an interpolation function of Kim and Monroe (2014, ).

Calculation of gas transport properties (viscosity, diffusion, thermal conductivity) using Chapman-Enskok theory (Chapman 1918, doi:10.1098/rsta.1918.0005) and of the second virial coefficient (Vargas et al. 2001, doi:10.1016/s0378-4371(00)00362-9) using the Lennard-Jones (12-6) potential. Up to the third order correction is taken into account for viscosity and thermal conductivity. It is also possible to calculate the binary diffusion coefficients of polar and non-polar gases in non-polar bath gases (Brown et al. 2011, doi:10.1016/j.pecs.2010.12.001). 16 collision integrals are calculated with four digit accuracy over the reduced temperature range [0.3, 400] using an interpolation function of Kim and Monroe (2014, doi:10.1016/j.jcp.2014.05.018).